2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one

C27H34N4O4Se2 — CID 157135766

IUPAC2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1CCCN1CCOCC1.O=c1c2ccccc2[se]n1CCN1CCOCC1
InChIInChI=1S/C14H18N2O2Se.C13H16N2O2Se/c17-14-12-4-1-2-5-13(12)19-16(14)7-3-6-15-8-10-18-11-9-15;16-13-11-3-1-2-4-12(11)18-15(13)6-5-14-7-9-17-10-8-14/h1-2,4-5H,3,6-11H2;1-4H,5-10H2
InChIKeyAJPGTGJYVOHIER-UHFFFAOYSA-N
MW636.51 g/mol
LogP1.17
Rot. Bonds7

About 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one

2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one (PubChem CID 157135766) has the molecular formula C27H34N4O4Se2 and a molecular weight of 636.51 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one
PubChem CID157135766
Molecular FormulaC27H34N4O4Se2
Molecular Weight636.51 g/mol
Exact Mass638.09
IUPAC Name2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1CCCN1CCOCC1.O=c1c2ccccc2[se]n1CCN1CCOCC1
InChIInChI=1S/C14H18N2O2Se.C13H16N2O2Se/c17-14-12-4-1-2-5-13(12)19-16(14)7-3-6-15-8-10-18-11-9-15;16-13-11-3-1-2-4-12(11)18-15(13)6-5-14-7-9-17-10-8-14/h1-2,4-5H,3,6-11H2;1-4H,5-10H2
InChIKeyAJPGTGJYVOHIER-UHFFFAOYSA-N
XLogP1.17
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.51
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one
CID 88598251
2-[2-(oxan-4-yl)ethyl]-1,2-benzoselenazol-3-one
CID 162657555
2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethylamino]ethyl]-1,2-benzoselenazol-3-one
CID 11016074
2-[2-[2-(3-oxo-1,2-benzoselenazol-2-yl)ethyldisulfanyl]ethyl]-1,2-benzoselenazol-3-one
CID 10962321
2-(cyclopropylmethyl)-1,2-benzoselenazol-3-one
CID 88596838
3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
CID 71495168
3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione
CID 3780799
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
5-methyl-3-(3-morpholin-4-ylpropyl)pyrimido[5,4-b]indol-4-one
CID 666243
4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride
CID 3029441

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one (CID 157135766) is 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one is O=c1c2ccccc2[se]n1CCCN1CCOCC1.O=c1c2ccccc2[se]n1CCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one?
The InChIKey is AJPGTGJYVOHIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2Se.C13H16N2O2Se/c17-14-12-4-1-2-5-13(12)19-16(14)7-3-6-15-8-10-18-11-9-15;16-13-11-3-1-2-4-12(11)18-15(13)6-5-14-7-9-17-10-8-14/h1-2,4-5H,3,6-11H2;1-4H,5-10H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one?
2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one has a molecular weight of 636.51 g/mol, XLogP of 1.17, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 157135766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).